# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15a2e7f1-687f-4438-a04e-bd6ef3f42c39/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for ThIN / P4/nmm (129) / materials id 28067](https://mdr.nims.go.jp/datasets/caf5bbc6-d289-4103-9aee-ee666a0a338d) ## Fulltext elements: [N, I, Th]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [14.01, 126.9, 232.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [5.087945828867977e+00, 6.441366635605978e+01, 1.380281189268318e-01, 1.795620880141928e+04, 3.015777922740380e+01, 3.665569679150778e+02, -2.927770970250543e+04, 0.000000000000000e+00, -5.108162712243205e+02, 0.000000000000000e+00, 3.843514441108083e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.085444538416548e+01, 1.573837667746762e+04, -5.300260365589229e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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